N-(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)butanamide

Systemtic Name: N-(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)butanamide Openeye Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)butanamide CAS Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)butanamide IUPAC Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)butanamide Traditional Name: N-(2-keto-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-6-yl)butyramide Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C2C(=C1)C(OC(=O)N2)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=C(C=C2C(=C1)C(OC(=O)N2)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c1-4-5-12(18)15-10-6-8-9(7-11(10)17(20)21)16-13(19)22-14(8,2)3/h6-7H,4-5H2,1-3H3,(H,15,18)(H,16,19)